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cbc-univie · May 16, 2024 · b18edd1 · b18edd1
1 parent 7c71389
commit b18edd1
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/transformato/analysis.py b/transformato/analysis.py
@@ -150,10 +150,10 @@ def _generate_openMM_system(self, env: str, lambda_state: int) -> Simulation:
             logger.info("We are using CUDA")
             platform = Platform.getPlatformByName("CUDA")
             simulation = Simulation(psf.topology, system, integrator, platform)
-        elif self.configuration["simulation"]["GPU"].upper() == "CUDA":
-            logger.info("We are using CUDA")
-            platform = Platform.getPlatformByName("CUDA")
-            simulation = Simulation(psf.topology, system, integrator, platform)
+#        elif self.configuration["simulation"]["GPU"].upper() == "CUDA":
+#            logger.info("We are using CUDA")
+#            platform = Platform.getPlatformByName("CUDA")
+#            simulation = Simulation(psf.topology, system, integrator, platform)
         #            except AttributeError:
         else:
             logger.info("We are using CPU")